A cloud calculation can take your molecular work beyond your local machine, but it also creates a practical problem: keeping track of what you launched, finding its results, and knowing which files are on your computer versus still in the cloud. SAMSON’s Job Manager brings those tasks together, so you can use it as the handoff point between a cloud job and your ongoing work.
This is useful for workflows such as protein structure prediction with AlphaFold or NVIDIA BioNeMo services, and molecular dynamics simulations using GROMACS. Before starting, keep one requirement in mind: cloud calculations in SAMSON require Computing Credits.
Start with the Job Manager
Open the Job Manager in SAMSON through Interface > Job manager. It is the place to manage jobs launched from SAMSON by extensions that provide job functionality. Depending on the job, you can start, pause, or stop it, and monitor its progress.
When you select a job, its details appear on the right side of the Job Manager. That gives you a useful first step when returning to a project: select the relevant job and check its details rather than trying to remember which run produced a particular result.
Make jobs easier to recognize later
Names and notes can save time when you have several calculations in progress or revisit a project after a break. In the Job Manager, you can edit a job’s name and notes. These are automatically synced with your SAMSON Connect account, helping keep the identifying information associated with the job.
A practical habit is to use a name that distinguishes the run from others in the same project, and notes to record context you will want when you return. The documentation confirms that you can edit both; it does not prescribe a naming format, so choose one that fits your own workflow.
Know where the files are
One common source of confusion is the difference between files already downloaded to your computer and files that remain in the cloud. A job’s context menu provides access to both local files and remote files, as well as to the job’s view on SAMSON Connect. This makes it easier to check the right location before assuming a result is missing.
To download all files for a job, double-click the job. This is a straightforward way to bring the job files back into your local workflow when you need them. The context menu is useful when you want to inspect or access files without treating local and remote storage as the same thing.
Share access deliberately
Cloud jobs launched from SAMSON are accessible from SAMSON Connect, where you can control who has access to them. That can help when a collaborator needs to view a job, while keeping job visibility and file access in mind as part of your project workflow. The Job Manager’s context menu also provides a route to the job view on SAMSON Connect.
In short: use the Job Manager to monitor and manage the run, give it a recognizable name and notes, double-click it to download all its files, and use the context menu to distinguish local files from remote ones or open the job on SAMSON Connect. These small steps can make the return from a cloud calculation less of a scavenger hunt.
For details and related guidance, see the SAMSON cloud computations documentation.
Note: SAMSON and all SAMSON Extensions are free for non-commercial use. Get SAMSON.